N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide

C13H17N5O2 — CID 136849774

IUPACN-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-3-18(9-6-10-4-7-14-8-5-10)12(19)11-15-13(20)17(2)16-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,16,20)
InChIKeyURIXMQIRPOWYBU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.21
Rot. Bonds5

About N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide

N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849774) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849774
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-3-18(9-6-10-4-7-14-8-5-10)12(19)11-15-13(20)17(2)16-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,16,20)
InChIKeyURIXMQIRPOWYBU-UHFFFAOYSA-N
XLogP0.21
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
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N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
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N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
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N-ethyl-5-(furan-2-yl)-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
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2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
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3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
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CID 22692037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide (CID 136849774) is N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide is CCN(CCc1ccncc1)C(=O)c1nn(C)c(=O)[nH]1.
What is the InChIKey of N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is URIXMQIRPOWYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-18(9-6-10-4-7-14-8-5-10)12(19)11-15-13(20)17(2)16-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,16,20).
What are the key properties of N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide?
N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).